N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H25ClN2O3S — CID 1335769

IUPACN-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-19-7-5-6-8-23(19)27(31(29,30)21-13-9-17(2)10-14-21)16-24(28)26-22-15-20(25)12-11-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyKJSMFWWJPYHGFW-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.35
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 1335769) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID1335769
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-4-19-7-5-6-8-23(19)27(31(29,30)21-13-9-17(2)10-14-21)16-24(28)26-22-15-20(25)12-11-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28)
InChIKeyKJSMFWWJPYHGFW-UHFFFAOYSA-N
XLogP5.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1248067
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893894
N-(3,5-dichlorophenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170750
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(5-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 3910967
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
N-(2,5-dimethylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170327
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 1344293
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51344748

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 1335769) is N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is KJSMFWWJPYHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-4-19-7-5-6-8-23(19)27(31(29,30)21-13-9-17(2)10-14-21)16-24(28)26-22-15-20(25)12-11-18(22)3/h5-15H,4,16H2,1-3H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 457.00 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1335769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).